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- W2363547251 abstract "The electronic structures of ground state and electronic spectrum of calculated using INDO/2 and INDO/SCI methods. Furthermore, we designed molecule and calculated its electronic structure and spectrum using same methods. The calculated results agreefairly well with the experimental ones. The nonlinear second-order optical susceptibilities βijk and βμ calculations have been performed using ZINDO-SOS method on the basis of the correct electronic spectra. Analysis and discussion fo the obtained results have been made. The conclusion is; C60(C CH)2with its diacetylene group directly bound to the [ 60 ] fullerene hase a bigger β value than C60C(C CH)2 and therefore might be potential nonlinear optical material." @default.
- W2363547251 created "2016-06-24" @default.
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- W2363547251 date "1999-01-01" @default.
- W2363547251 modified "2023-09-25" @default.
- W2363547251 title "Theoretical Studies of Structures, Electronic Spectra and Nonlinear Second-Order Optical Properties of Two Diacetyleny-substituted [60] Fullerene" @default.
- W2363547251 hasPublicationYear "1999" @default.
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